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88621-40-3 | L-Leucine, N-[N-[N-[N-(thio-L-tyrosyl)glycyl]glycyl]-L-phenylalanyl]-
CAS No: 88621-40-3 Catalog No: AG004ALK MDL No:
Product Description
Catalog Number:
AG004ALK
Chemical Name:
L-Leucine, N-[N-[N-[N-(thio-L-tyrosyl)glycyl]glycyl]-L-phenylalanyl]-
CAS Number:
88621-40-3
Molecular Formula:
C28H37N5O6S
Molecular Weight:
571.6883
IUPAC Name:
2-[[2-[[2-[[2-[[2-amino-3-(4-sulfanylphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C28H37N5O6S/c1-17(2)12-23(28(38)39)33-27(37)22(14-18-6-4-3-5-7-18)32-25(35)16-30-24(34)15-31-26(36)21(29)13-19-8-10-20(40)11-9-19/h3-11,17,21-23,40H,12-16,29H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)(H,33,37)(H,38,39)
InChI Key:
QEJVTYFAHSYXNN-UHFFFAOYSA-N
SMILES:
O=C(CNC(=O)[C@H](Cc1ccc(cc1)S)N)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1
Properties
Complexity:
858
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
571.246g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
571.693g/mol
Monoisotopic Mass:
571.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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